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Physics simulators are essential in science and engineering, enabling the analysis, control, and design of complex systems. In experimental sciences, they are increasingly used to automate experimental design, often via combinatorial search…

Developing surrogates for computer models has become increasingly important for addressing complex problems in science and engineering. This article introduces an artificial intelligent (AI) surrogate, referred to as the DeepSurrogate, for…

This paper presents a residual-informed machine learning approach for replacing algebraic loops in equation-based Modelica models with neural network surrogates. A feedforward neural network is trained using the residual (error) of the…

Machine Learning · Computer Science 2025-10-13 Felix Brandt , Andreas Heuermann , Philip Hannebohm , Bernhard Bachmann

The energy transition entails a rapid uptake of renewable energy sources. Besides physical changes within the grid infrastructure, energy storage devices and their smart operation are key measures to master the resulting challenges like,…

Optimization and Control · Mathematics 2019-11-13 Manuel Baumann , Sara Grundel , Philipp Sauerteig , Karl Worthmann

This study presents a novel framework for precise force control of fin-actuated underwater robots by integrating a deep neural network (DNN)-based surrogate model with reinforcement learning (RL). To address the complex interactions with…

Robotics · Computer Science 2025-02-06 Yuya Hamamatsu , Pavlo Kupyn , Roza Gkliva , Asko Ristolainen , Maarja Kruusmaa

AI-driven surrogate modeling has become an increasingly effective alternative to physics-based simulations for 3D design, analysis, and manufacturing. These models leverage data-driven methods to predict physical quantities traditionally…

Machine Learning · Computer Science 2025-05-06 Yu-hsuan Chen , Jing Bi , Cyril Ngo Ngoc , Victor Oancea , Jonathan Cagan , Levent Burak Kara

Design optimization techniques are often used at the beginning of the design process to explore the space of possible designs. In these domains illumination algorithms, such as MAP-Elites, are promising alternatives to classic optimization…

Machine Learning · Statistics 2018-06-18 Adam Gaier , Alexander Asteroth , Jean-Baptiste Mouret

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

We introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, e.g. convex,…

Optimization and Control · Mathematics 2023-12-27 Rishabh Gupta , Qi Zhang

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

Many problems in computer vision have recently been tackled using models whose predictions cannot be easily interpreted, most commonly deep neural networks. Surrogate explainers are a popular post-hoc interpretability method to further…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Ricardo Kleinlein , Alexander Hepburn , Raúl Santos-Rodríguez , Fernando Fernández-Martínez

Radio-Frequency Quadrupoles (RFQs) are multi-purpose linear particle accelerators that simultaneously bunch and accelerate charged particle beams. They are ubiquitous in accelerator physics, especially as injectors to higher-energy…

Computational Physics · Physics 2024-03-18 Joshua Villarreal , Daniel Winklehner , Daniel Koser , Janet Marie Conrad

The electronic structure in matter under extreme conditions is a challenging complex system prevalent in astrophysical objects and highly relevant for technological applications. We show how machine-learning surrogates in terms of neural…

Computational Physics · Physics 2021-04-08 Tobias Dornheim , Zhandos Moldabekov , Attila Cangi

Complex computational models are often designed to simulate real-world physical phenomena in many scientific disciplines. However, these simulation models tend to be computationally very expensive and involve a large number of simulation…

Human-Computer Interaction · Computer Science 2019-10-18 Subhashis Hazarika , Haoyu Li , Ko-Chih Wang , Han-Wei Shen , Ching-Shan Chou

The vision of personalized medicine is to identify interventions that maintain or restore a person's health based on their individual biology. Medical digital twins, computational models that integrate a wide range of health-related data…

Quantitative Methods · Quantitative Biology 2025-10-21 Luis L. Fonseca , Lucas Böttcher , Borna Mehrad , Reinhard C. Laubenbacher

Parameter identification for marine ecosystem models is important for the assessment and validation of marine ecosystem models against observational data. The surrogate-based optimization (SBO) is a computationally efficient method to…

Atmospheric and Oceanic Physics · Physics 2021-12-01 Markus Pfeil , Thomas Slawig

Microfluidics have shown great promise in multiple applications, especially in biomedical diagnostics and separations. While the flow properties of these microfluidic devices can be solved by numerical methods such as computational fluid…

Fluid Dynamics · Physics 2021-05-12 Quang Tuyen Le , Pao-Hsiung Chiu , Chin Chun Ooi

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

Machine Learning · Statistics 2022-01-20 Akshay Thakur , Souvik Chakraborty

The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Larissa Schmid , Maximilian Horzela , Valerii Zhyla , Manuel Giffels , Günter Quast , Anne Koziolek

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou